7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one

C8H5FINO2 — CID 22625608

IUPAC7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(I)cc2N1
InChIInChI=1S/C8H5FINO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12)
InChIKeyNOROHZUUWZNZGX-UHFFFAOYSA-N
MW293.04 g/mol
LogP1.76
Rot. Bonds

About 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one

7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one (PubChem CID 22625608) has the molecular formula C8H5FINO2 and a molecular weight of 293.04 g/mol. Its IUPAC name is 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
PubChem CID22625608
Molecular FormulaC8H5FINO2
Molecular Weight293.04 g/mol
Exact Mass292.93
IUPAC Name7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(I)cc2N1
InChIInChI=1S/C8H5FINO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12)
InChIKeyNOROHZUUWZNZGX-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
6-ethynyl-7-fluoro-4H-1,4-benzoxazin-3-one
CID 22625617
6-(aminomethyl)-7-fluoro-4H-1,4-benzoxazin-3-one
CID 59298314
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
2-[(7-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclopentene-1-carboxylic acid
CID 134092384
6-[2-(3-fluoro-4-hydroxyphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68977937
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-fluoro-6-[2-oxo-6-(trifluoromethyl)-1H-pyrazin-3-yl]-4H-1,4-benzoxazin-3-one
CID 11088773
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 89348149

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one (CID 22625608) is 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one is O=C1COc2cc(F)c(I)cc2N1.
What is the InChIKey of 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one?
The InChIKey is NOROHZUUWZNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12).
What are the key properties of 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one?
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one has a molecular weight of 293.04 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 22625608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).